NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4119 8.2893 120.3486 55.3622 33.0775 174.7223 2 N 4.6534 8.5873 124.0662 51.4578 38.9118 172.9907 3 I 4.5941 8.8072 121.1736 59.5694 41.8703 176.3328 4 I 4.3763 8.3191 123.7688 59.6334 38.5501 175.1231 5 K 4.4595 8.6091 124.8127 54.3908 34.0493 176.1907 6 A 4.5896 8.3798 126.2465 50.7470 21.2670 175.0658 7 N 5.0465 8.1879 116.8362 51.9476 41.4672 175.6620 8 V 3.9314 8.1675 114.1408 62.5639 32.3130 176.7981 9 A 4.1623 8.1136 123.6637 52.0830 18.6257 178.0695 10 A 4.6337 8.4629 123.4862 51.2330 21.3752 174.0346 11 P 4.7007 0.0000 0.0000 65.5111 32.1838 179.4901 12 D 4.7565 8.0668 114.4828 53.1597 39.5058 178.2113 13 A 4.6914 7.6197 124.7189 52.9157 20.1041 178.3461 14 R 4.8375 9.5163 120.4996 55.0767 32.8848 175.8862 15 V 4.9325 8.8562 124.1522 59.9899 34.8738 173.9261 16 A 4.9565 8.5027 128.4369 50.0694 21.5802 175.1612 17 I 4.7596 8.6756 123.7466 59.6011 39.4042 174.6978 18 T 4.7779 8.6616 118.0267 60.0034 70.7466 173.4351 19 I 5.1987 8.2851 126.5925 58.2379 40.5140 174.5362 20 A 5.0275 8.4304 127.7716 51.3030 19.1842 177.9644 21 R 4.4415 9.3568 119.4565 58.4758 30.2590 177.0201 22 F 4.6010 8.2091 121.2181 59.9632 39.6918 174.3752 23 N 4.6683 9.8597 123.6951 54.4544 35.6156 176.0194 24 Q 4.1867 8.3358 120.4800 59.5314 28.0232 178.1115 25 F 3.7786 8.5043 121.4142 61.0806 39.4778 176.3849 26 I 4.2308 8.3494 118.8209 63.6792 37.7779 177.7256 27 N 4.3603 8.2832 116.6346 56.2923 38.2752 176.8479 28 D 4.5864 8.8283 121.0536 57.7321 41.0180 178.9456 29 S 4.0939 7.9746 112.8286 61.0046 62.4095 175.5544 30 L 4.0672 7.7512 123.1668 58.5935 41.7034 178.2015 31 L 3.8813 8.4462 120.7439 57.4908 41.9588 178.7387 32 D 4.4921 8.5355 118.4910 57.2540 40.9956 179.7653 33 G 3.5881 8.1414 105.8865 47.7781 0.0000 175.2634 34 A 4.0019 7.9052 123.4290 54.6938 18.4437 179.3637 35 V 3.4649 7.8681 116.5771 66.2902 31.5687 177.4093 36 D 4.2977 8.1398 117.1359 57.7270 40.9651 177.6357 37 A 3.9008 8.3566 120.9952 55.8203 18.3711 179.0538 38 L 3.8451 8.4789 116.3106 59.3313 41.9900 179.8468 39 T 4.2092 8.3190 110.9763 64.0088 68.6126 176.2907 40 R 3.8776 8.1825 123.9641 58.2852 30.7046 178.1026 41 I 4.0627 8.0588 117.3250 63.5591 37.8560 177.1396 42 G 3.7675 7.9477 106.4975 45.3565 0.0000 174.2173 43 Q 3.7224 8.1674 117.5967 56.4212 26.5796 173.2251 44 V 3.9055 7.5068 118.8744 62.3517 32.2363 175.2507 45 K 4.3598 8.5719 128.8631 56.2337 32.5523 176.5983 46 D 4.7183 8.8092 124.4298 53.9709 39.0994 176.2006 47 D 4.8145 7.9869 117.0508 53.7507 40.2357 176.2699 48 N 4.7164 8.5651 117.7405 53.6665 39.3989 174.1127 49 I 4.9667 7.5935 120.2091 60.3038 38.3871 175.2211 50 T 4.7206 8.7727 117.2419 59.7007 72.0000 173.0147 51 V 4.6122 8.4038 123.4640 61.0806 34.1865 174.5434 52 V 4.3050 9.0114 128.9819 60.8222 33.6480 174.4820 53 W 4.9419 8.9810 129.0899 56.5036 29.5886 176.5050 54 V 4.3829 8.6989 119.1269 59.0709 33.6811 174.7585 55 P 4.3171 0.0000 0.0000 65.1379 31.2473 177.2279 56 G 4.4877 7.9705 108.2750 42.8167 0.0000 174.0517 57 A 4.0442 8.4888 120.4289 54.9395 18.0784 179.1168 58 Y 4.1996 8.2200 117.0849 60.8353 39.1630 177.6013 59 E 4.1404 8.1855 118.6466 57.9288 29.6516 178.5708 60 L 3.8891 7.5920 119.8672 58.1689 41.6086 177.0113 61 P 4.1716 0.0000 0.0000 64.8410 31.1321 177.9720 62 L 3.8610 7.7053 117.9165 58.4691 42.3032 179.3601 63 A 3.9853 7.8136 120.0628 55.5973 18.3190 179.8316 64 T 3.8298 8.1760 108.4816 64.5820 68.7042 176.1044 65 E 3.8409 9.0129 122.8010 59.1488 29.6253 178.2990 66 A 4.0083 8.0240 120.5549 55.6230 18.2052 179.6050 67 L 4.0897 7.5743 114.8085 57.9222 41.9438 179.4764 68 A 4.2280 8.3489 120.8648 55.1240 18.2232 179.8222 69 K 3.9418 8.1974 116.2397 59.6088 32.1413 178.9595 70 S 4.1966 8.1020 112.9527 59.5125 62.3245 175.9537 71 G 3.9673 8.4679 110.6094 46.3267 0.0000 176.0934 72 K 3.7212 7.7118 120.3870 56.3432 31.8352 182.1682 73 Y 5.1235 7.0237 113.2155 56.8540 40.6471 175.5096 74 D 4.7131 9.3113 122.1313 56.0532 41.8121 176.4371 75 A 4.5372 7.3397 117.4745 51.2411 22.5345 175.0990 76 V 4.7470 8.2388 120.0792 61.0427 34.5204 174.5012 77 V 4.3597 8.7209 128.3809 61.5747 33.4201 174.1633 78 A 4.9813 8.6041 130.0437 49.5891 20.9871 175.1393 79 L 4.9973 8.5855 123.2821 53.3245 44.6741 176.3728 80 G 4.1905 7.9064 108.6126 45.9697 0.0000 172.0238 81 T 5.0978 8.5097 115.9355 61.5280 72.0615 174.3473 82 V 4.2215 9.1351 125.2963 61.3188 34.0722 173.8702 83 I 4.7589 8.1901 128.6666 59.6182 38.6424 175.9895 84 R 3.6206 8.5445 127.9725 56.5861 30.2041 176.4240 85 G 4.3698 8.3807 116.4989 44.4773 0.0000 173.1811 86 G 3.6390 8.7807 107.8852 47.4925 0.0000 173.3368 87 T 4.5105 7.5960 108.4123 59.7435 71.5285 173.5286 88 A 4.4790 8.3604 121.2777 52.7523 18.7923 178.7101 89 H 4.2896 8.3124 120.5264 60.3084 29.8562 176.9084 90 F 4.0219 8.4818 122.0272 61.5451 38.9952 176.6265 91 E 3.6037 7.9321 118.2126 59.5691 29.3974 178.3973 92 Y 4.3324 7.4060 115.8409 60.6772 38.2372 177.6252 93 V 3.6847 7.6830 119.3397 65.8607 31.6086 177.7839 94 A 4.0826 7.7966 120.1069 55.4402 18.0510 179.4131 95 G 3.6675 8.1722 104.7824 47.5435 0.0000 175.9040 96 G 3.8667 8.7206 108.2374 45.8841 0.0000 174.7153 97 A 4.2602 7.8253 122.4362 54.3343 19.6603 179.2225 98 S 4.1182 8.3250 111.9390 61.7938 62.4172 176.2261 99 N 4.4375 8.5534 119.5734 55.9322 38.3331 177.4200 100 G 3.7165 7.7032 106.3559 48.0477 0.0000 175.5012 101 L 3.9912 8.0020 121.7121 57.2379 41.7959 179.5400 102 A 3.9772 8.0021 120.5929 55.1398 18.2721 179.5593 103 S 3.9366 8.2636 111.6068 61.5072 62.4597 176.1475 104 V 3.5455 7.7510 120.7277 66.2365 31.1156 177.6794 105 A 4.3187 7.8342 121.2639 54.8265 18.0173 179.4568 106 Q 3.8961 7.7121 116.3866 59.1298 29.1250 177.7884 107 D 4.5340 7.9969 119.4442 56.9945 41.2900 178.5481 108 S 4.3299 8.3265 113.0719 58.8424 63.4074 175.6419 109 G 3.8968 8.1257 109.4432 45.6860 0.0000 173.7691 110 V 3.9563 7.5666 121.0152 61.6681 33.0296 173.5775 111 P 4.4934 0.0000 0.0000 62.6411 32.4636 175.1413 112 V 4.8504 8.4349 123.7601 61.0281 33.9770 174.1941 113 A 4.5130 8.7845 130.0919 50.7169 20.6469 176.2007 114 F 4.7863 8.9948 126.8013 56.3094 38.3575 175.9189 115 G 3.9363 8.0784 118.2429 45.0305 0.0000 170.9960 116 V 4.6399 6.1417 117.5880 60.5704 33.9921 175.9956 117 L 4.2803 8.8217 129.4262 55.0807 42.8156 176.5802 118 T 5.4976 8.7399 112.6360 58.7581 68.8507 172.5576 119 T 4.6150 8.1821 120.7761 60.9530 72.1291 175.0122 120 E 4.0497 9.7955 120.7757 57.3452 30.4431 177.3331 121 S 4.7165 7.5985 111.9504 55.5388 67.6429 174.7839 122 I 3.6693 8.2368 123.2867 64.3457 36.6129 177.9238 123 E 3.9184 8.2131 118.9064 59.8174 29.7225 178.7207 124 Q 4.2779 8.0729 117.3191 58.7753 28.7706 178.4799 125 A 4.0215 7.8065 121.7796 55.4403 18.0998 179.7270 126 I 3.7566 7.8937 118.1324 64.6626 37.1000 178.5471 127 E 4.5585 8.0692 120.2971 58.1169 29.2709 178.4241 128 R 4.5308 7.9311 115.6785 55.6899 30.5124 176.7417 129 A 4.8339 7.2046 121.4824 52.6495 19.5127 177.1124 130 G 4.4610 8.0905 107.9353 48.1669 0.0000 175.4742 131 T 4.6354 7.5128 115.1923 60.1486 68.7639 175.7250 132 K 3.7808 9.2506 117.0365 59.3024 31.7431 177.6856 133 A 4.5773 7.7946 119.3225 52.0117 19.9579 178.8791 134 G 3.7448 8.0724 110.4387 47.2553 0.0000 173.7553 135 N 5.2640 8.2447 117.8138 50.9640 40.8869 175.6519 136 K 4.0239 8.9445 128.9101 58.9488 32.0552 179.1578 137 G 4.0570 8.2648 107.8917 47.3563 0.0000 175.6487 138 A 4.0531 7.8851 123.4666 54.3270 18.4513 179.2400 139 E 3.8656 8.4716 117.9549 59.3056 29.7613 178.8868 140 A 4.0400 8.4490 122.2743 54.4980 18.4749 179.2918 141 A 3.9268 8.2604 119.6520 55.4137 18.3409 179.9572 142 L 3.9367 8.0013 117.5570 58.1680 41.5841 179.8971 143 T 3.8592 8.1227 109.3735 64.4570 68.5504 176.2863 144 A 4.0185 7.9949 123.9347 55.0270 18.4982 179.1223 145 L 3.8887 7.8155 116.9126 58.1716 41.7580 179.3208 146 E 4.1806 8.3428 120.3821 59.0465 29.4297 178.8465 147 M 4.0278 8.0317 118.3375 58.4094 31.9422 178.4232 148 I 3.6911 7.7694 119.8892 64.8302 37.3071 178.1379 149 N 4.3187 7.9855 116.2786 56.2728 38.1699 177.4998 150 V 3.5937 7.8150 118.7800 66.1314 31.7928 177.9036 151 L 4.0808 8.3632 118.8058 57.8225 41.3877 179.1236 152 K 3.8365 8.1617 118.4892 59.5555 32.0817 177.0036 153 A 4.4627 8.2336 120.4362 51.7773 19.4238 177.2531 154 I 3.8760 7.7880 120.9600 63.1680 37.7493 173.9415 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.81 4.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.61 4.46 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.59 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.19 5.05 0.00 2.73 2.64 0.00 0.00 6.86 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.17 3.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 9 A 8.11 4.16 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.46 4.63 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.70 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 12 D 8.07 4.76 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.62 4.69 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.52 4.84 0.00 1.41 1.78 0.00 3.21 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.86 4.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.96 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.68 4.76 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.72 0.00 0.00 18 T 8.66 4.78 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.29 5.20 0.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.21 0.42 0.00 0.00 20 A 8.43 5.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.36 4.44 0.00 2.07 2.50 0.00 2.86 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.21 4.60 0.00 3.16 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.86 4.67 0.00 2.97 2.99 0.00 0.00 6.88 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.34 4.19 0.00 2.52 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.78 0.00 3.13 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.35 4.23 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.26 0.95 0.00 0.00 27 N 8.28 4.36 0.00 2.87 2.91 0.00 0.00 7.07 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.83 4.59 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.97 4.09 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.75 4.07 0.00 1.94 1.62 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.45 3.88 0.00 1.78 1.77 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.54 4.49 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.14 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.91 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.87 3.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 36 D 8.14 4.30 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.36 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.48 3.85 0.00 1.86 1.73 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.32 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 40 R 8.18 3.88 0.00 1.81 2.23 0.00 3.24 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 8.06 4.06 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 0.91 0.00 0.00 42 G 7.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.17 3.72 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.51 3.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 45 K 8.57 4.36 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.72 0.00 2.83 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.99 4.81 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.57 4.72 0.00 2.86 2.99 0.00 0.00 6.92 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.59 4.97 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.89 0.00 0.00 50 T 8.77 4.72 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 51 V 8.40 4.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.83 0.00 0.00 52 V 9.01 4.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.94 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.70 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.97 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.49 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.22 4.20 0.00 2.93 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.19 4.14 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 60 L 7.59 3.89 0.00 1.78 1.70 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.02 1.94 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 62 L 7.71 3.86 0.00 1.63 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.18 3.83 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 65 E 9.01 3.84 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 66 A 8.02 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.57 4.09 0.00 1.77 1.67 0.65 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.35 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.20 3.94 0.00 1.74 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.10 4.20 0.00 3.92 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.47 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.71 3.72 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 7.02 5.12 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.31 4.71 0.00 2.55 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.34 4.54 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.24 4.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.85 0.00 0.00 77 V 8.72 4.36 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.60 4.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.59 5.00 0.00 1.38 1.39 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.51 5.10 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 82 V 9.14 4.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.76 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.87 0.00 0.00 84 R 8.54 3.62 0.00 0.67 1.38 0.00 3.07 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 0.00 85 G 8.38 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.60 4.51 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 88 A 8.36 4.48 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.31 4.29 0.00 3.24 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.02 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.93 3.60 0.00 1.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 92 Y 7.41 4.33 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.68 3.68 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.77 0.00 0.00 94 A 7.80 4.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.17 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.72 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.83 4.26 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.32 4.12 0.00 3.69 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.55 4.44 0.00 2.79 2.82 0.00 0.00 6.95 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.70 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.00 3.99 0.00 1.89 1.81 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.00 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.26 3.94 0.00 3.97 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.75 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.98 0.00 0.00 105 A 7.83 4.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.71 3.90 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.00 4.53 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.33 4.33 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.13 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.57 3.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 111 P 0.00 4.49 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.43 4.85 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 113 A 8.78 4.51 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.99 4.79 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.14 4.64 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 -0.05 0.00 0.00 117 L 8.82 4.28 0.00 1.60 1.58 0.95 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.50 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 119 T 8.18 4.61 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 120 E 9.80 4.05 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 121 S 7.60 4.72 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.24 3.67 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.86 0.00 0.00 123 E 8.21 3.92 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 124 Q 8.07 4.28 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 125 A 7.81 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.89 3.76 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.10 0.99 0.00 0.00 127 E 8.07 4.56 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 128 R 7.93 4.53 0.00 1.88 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.20 4.83 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.09 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.51 4.64 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 132 K 9.25 3.78 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.79 4.58 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.07 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.24 5.26 0.00 2.70 2.66 0.00 0.00 6.93 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.94 4.02 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 137 G 8.26 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.89 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.47 3.87 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 140 A 8.45 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.26 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.00 3.94 0.00 2.01 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.12 3.86 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 144 A 7.99 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.82 3.89 0.00 1.87 1.90 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.34 4.18 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 147 M 8.03 4.03 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.77 3.69 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.92 0.92 0.00 0.00 149 N 7.99 4.32 0.00 2.96 2.86 0.00 0.00 6.73 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.82 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 151 L 8.36 4.08 0.00 1.93 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.16 3.84 0.00 1.83 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.23 4.46 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.79 3.88 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.72 0.91 0.00 0.00